HCID67147711

(2,4-dimethoxybenzyl) [2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyrid-4-ylmethyl]amine

N-[[2-(5,6-dimethoxy-1-methylindol-3-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]methyl]-1-(2,4-dimethoxyphenyl)methanamine

C35H36N4O6S640.7 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(CNCc2ccnc3c2cc(-c2cn(C)c4cc(OC)c(OC)cc24)n3S(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIKey: ZLCGJLIQIUHDMC-UHFFFAOYSA-N
分子式: C35H36N4O6S
平均分子量: 640.7 g/mol
单同位素质量: 640.23555605

COMPUTED

结构计算性质

已同步

XLogP: 5.3
极性表面积: 114 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 11
重原子: 46
形式电荷: 0
复杂度: 1,090

ALIASES

名称与别名

共 4 条

SCHEMBL1749227ZLCGJLIQIUHDMC-UHFFFAOYSA-N(2,4-dimethoxybenzyl) [2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyrid-4-ylmethyl]amine(2,4-dimethoxybenzyl)[2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyrid-4-ylmethyl]amine

REACTIONS